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Geometry for H2NCHCHNH2 (diaminoethylene) 1A C2

1910171554
InChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2/b2-1+ INChIKey=

PBEPBE/Def2TZVPP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3129 0.5955 0.0465   0.6305 0.2345 0.0465
C2 -0.3129 -0.5955 0.0465   -0.6305 -0.2345 0.0465
N3 -0.3129 1.8532 -0.1174   1.7982 -0.5465 -0.1174
N4 0.3129 -1.8532 -0.1174   -1.7982 0.5465 -0.1174
H5 1.4068 0.6400 0.0500   0.8140 1.3138 0.0500
H6 -1.4068 -0.6400 0.0500   -0.8140 -1.3138 0.0500
H7 -1.3289 1.7931 -0.0578   1.6092 -1.5466 -0.0578
H8 1.3289 -1.7931 -0.0578   -1.6092 1.5466 -0.0578
H9 0.0172 2.5489 0.5510   2.5303 -0.3077 0.5510
H10 -0.0172 -2.5489 0.5510   -2.5303 0.3077 0.5510
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3454 1.4143 2.4541 1.0948 2.1175 2.0349 2.5978 2.0390 3.2016
C2 1.3454 2.4541 1.4143 2.1175 1.0948 2.5978 2.0349 3.2016 2.0390
N3 1.4143 2.4541 3.7588 2.1112 2.7277 1.0195 3.9993 1.0196 4.4623
N4 2.4541 1.4143 3.7588 2.7277 2.1112 3.9993 1.0195 4.4623 1.0196
H5 1.0948 2.1175 2.1112 2.7277 3.0911 2.9708 2.4367 2.4137 3.5281
H6 2.1175 1.0948 2.7277 2.1112 3.0911 2.4367 2.9708 3.5281 2.4137
H7 2.0349 2.5978 1.0195 3.9993 2.9708 2.4367 4.4637 1.6594 4.5764
H8 2.5978 2.0349 3.9993 1.0195 2.4367 2.9708 4.4637 4.5764 1.6594
H9 2.0390 3.2016 1.0196 4.4623 2.4137 3.5281 1.6594 4.5764 5.0978
H10 3.2016 2.0390 4.4623 1.0196 3.5281 2.4137 4.5764 1.6594 5.0978
Maximum atom distance is 5.0978Å between atoms H9 and H10.
picture of diaminoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 125.547 C2 C1 N3 125.547
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.048 C1 N3 H7 112.447
C1 N3 H9 112.802 C2 C1 H5 120.048
C2 N4 H8 112.447 C2 N4 H10 112.802
N3 C1 H5 113.978 N4 C2 H6 113.978
H7 N3 H9 108.934 H8 N4 H10 108.934

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.